from first principles PP-I-1

PP-III-4The Mechanism of the Reaction of Partial Oxidation of Isobutyl Alcoholover Modified Zeolite Catalyst CuPdCaAAliyev A.M., Sarijanov A.A., Shabanova Z.A.Institute of Chemical Problems named after academician M.F. Nagiyev of the NationalAcademy of Sciences of Azerbaijan, AZ 1143, Baku, H.Javid ave., 29, Azerbaijanitpcht@itphct.ab.azIn the present paper, the results of the investigation of kinetic laws of the reaction of partialoxidation of isobutyl alcohol to isobutyric aldehyde and the results of the study of themechanism of this reaction are reported.The results of the investigation on selection of the high efficiency of modified zeolite catalysts forthe reaction of partial oxidation of isobutyl alcohol to isobutyric aldehyde showed that the highestyield of aldehyde is obtained over CuPdCaA catalyst, containing 1.0 wt.% - Pd 2+ and 3.0 wt.%Cu 2+ and kinetics of this reaction has been studied over this catalyst for determination themechanism of formation of isobutyric aldehyde. Kinetic experiments were carried out attemperatures 280-380 o C, in wide range of change: space velocity and partial pressures ofreagents.On the basis of analysis of literature material and experimental data it has been suggested theprobable stage mechanism of the reaction of partial oxidation of isobutyl alcohol over modifiedzeolite catalyst CuPdCaA. The isobutyric acid formed from interaction between dissosiativelyadsorbed oxygen molecules and adsorbed alcohol molecules on the catalyst surfacecorresponding to the next mechanism (Z - an active site of zeolite):kO 2Z 12 2ZOkZO i C24H9OH ZO(i C4H9OH)kZO(i C34H9OH) i C3H7CHO H2O ZAccording to this mechanism the kinetic equation for formation isobutyric aldehyde has beenobtained:r = k 1 P O 22 kP 1O kP2 1O214 12k2Palc 2k3 , kP 1O kP 2 1O22 2k 2 P alc 2k 3 where r – rate of reaction; P alc , P O 2 – partial pressures of alcohol and O 2, k i – kinetik constantof elementary reactions.On the basis of experimental data the number values of the kinetic parameters has beendefined.155